N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

C20H19FN4O3 — CID 91114407

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(C=Cc3cccc(F)c3)c12
InChIInChI=1S/C20H19FN4O3/c1-11(19(22)26)23-20(27)14-7-9-16-17(18(14)28-2)15(24-25-16)8-6-12-4-3-5-13(21)10-12/h3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25)/t11-/m0/s1
InChIKeyRGAKOEIUBPYMGI-NSHDSACASA-N
MW382.40 g/mol
LogP2.48
Rot. Bonds6

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 91114407) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID91114407
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(C=Cc3cccc(F)c3)c12
InChIInChI=1S/C20H19FN4O3/c1-11(19(22)26)23-20(27)14-7-9-16-17(18(14)28-2)15(24-25-16)8-6-12-4-3-5-13(21)10-12/h3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25)/t11-/m0/s1
InChIKeyRGAKOEIUBPYMGI-NSHDSACASA-N
XLogP2.48
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide
CID 91407408
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide
CID 142836204
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-2-methoxybenzamide
CID 142836411
2-amino-3-[3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-yl]-3-oxopropanoic acid
CID 68928279
3-[2-(4-fluorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628047
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90916059
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91101370
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide
CID 91106086
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136601640
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
CID 72628015

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (CID 91114407) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(C=Cc3cccc(F)c3)c12.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is RGAKOEIUBPYMGI-NSHDSACASA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-11(19(22)26)23-20(27)14-7-9-16-17(18(14)28-2)15(24-25-16)8-6-12-4-3-5-13(21)10-12/h3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 91114407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).